SCHEMBL6230153

SCHEMBL6230153

CCOc1cc(CNC(C)c2ncc(C)s2)ccc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
ATM Q13315 1/20 0.51
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
POLB P06746 2/20 0.48
THRB P10828 1/20 0.48
GAA P10253 3/20 0.44
SLC2A1 P11166 2/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
TP53 P04637 1/20 0.41
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
MAPK1 P28482 2/20 0.40
NTSR1 P30989 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6232051 1.00 MEN1 (0.51) MEN1KMT2AATMMAPTSMN1; SMN2
SCHEMBL6231703 0.91 LMNA (0.53) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL6231706 0.91 LMNA (0.53) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL6233814 0.89 FFAR4 (0.45) MEN1KMT2ALMNATDP1SLC2A1
SCHEMBL6233811 0.87 HTR7 (0.41) MEN1KMT2AATMSMN1; SMN2LMNA
SCHEMBL6233689 0.87 CD274 (0.45) MEN1KMT2AATMSMN1; SMN2LMNA
SCHEMBL6233809 0.87 HTR7 (0.41) MEN1KMT2AATMSMN1; SMN2LMNA
SCHEMBL6235950 0.82 PDCD1 (0.49) MEN1KMT2AMAPTPOLB
SCHEMBL6237847 0.82 BCHE (0.54) MEN1KMT2APOLBMAPK1
SCHEMBL6237852 0.82 BCHE (0.54) MEN1KMT2APOLBMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005000309-A2 CHEMICAL COMPOUNDS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-06 WO disclosed